1-[2-[(2S)-2-carboxypyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid

Systemtic Name: 1-[2-[(2S)-2-carboxypyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-1-[2-[(2S)-2-carboxypyrrolidin-1-yl]-2-oxo-ethyl]-3-cyclohexyl-indole-6-carboxylic acid CAS Name: 1-[2-[(2S)-2-carboxy-1-pyrrolidinyl]-2-oxoethyl]-3-cyclohexyl-2-(4-phenylmethoxyphenyl)-6-indolecarboxylic acid IUPAC Name: 1-[2-[(2S)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexyl-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-1-[2-[(2S)-2-carboxypyrrolidino]-2-keto-ethyl]-3-cyclohexyl-indole-6-carboxylic acid Formula: C35H36N2O6 MolecularWeight: 580.67014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCCC4C(=O)O)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCC[C@H]4C(=O)O)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C35H36N2O6/c38-31(36-19-7-12-29(36)35(41)42)21-37-30-20-26(34(39)40)15-18-28(30)32(24-10-5-2-6-11-24)33(37)25-13-16-27(17-14-25)43-22-23-8-3-1-4-9-23/h1,3-4,8-9,13-18,20,24,29H,2,5-7,10-12,19,21-22H2,(H,39,40)(H,41,42)/t29-/m0/s1